element(s):
['Ga']
AFLOW prototype label:
A_cI12_220_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0491']
model name:
Sim_LAMMPS_Polymorphic_NordAlbeErhart_2003_GaN__SM_333071728528_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.375 0.    0.25 ]]
spacegroup =  220
cell =  [[6.0491, 0, 0], [0, 6.0491, 0], [0, 0, 6.0491]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:30:40      -27.535445         9.736468
BFGS:    1 15:30:40      -28.887747         8.293110
BFGS:    2 15:30:40      -30.024324         6.868464
BFGS:    3 15:30:40      -30.951510         5.508061
BFGS:    4 15:30:40      -31.681744         4.247443
BFGS:    5 15:30:40      -32.231964         3.110876
BFGS:    6 15:30:40      -32.621845         2.110603
BFGS:    7 15:30:40      -32.871977         1.246586
BFGS:    8 15:30:40      -33.002084         0.507479
BFGS:    9 15:30:40      -33.030995         0.061367
BFGS:   10 15:30:40      -33.031453         0.003334
BFGS:   11 15:30:40      -33.031454         0.000022
BFGS:   12 15:30:40      -33.031454         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.1569224727568267e-22 eV/Angstrom
Maximum stress component: 4.764947237220947e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[0.375 0.    0.25 ]
 [0.125 0.    0.75 ]
 [0.625 0.5   0.25 ]
 [0.875 0.5   0.75 ]
 [0.25  0.375 0.   ]
 [0.75  0.125 0.   ]
 [0.25  0.625 0.5  ]
 [0.75  0.875 0.5  ]
 [1.    0.25  0.375]
 [1.    0.75  0.125]
 [0.5   0.25  0.625]
 [0.5   0.75  0.875]]
cellpar =  Cell([[5.827639369200542, 3.283937324120326e-33, -8.94007051534208e-34], [-1.8464545267086376e-34, 5.827639369200542, -1.2890040680941082e-19], [9.327445310138227e-34, -1.289004068094055e-19, 5.827639369200542]])
forces =  [[ 1.28546941e-23  6.82905626e-24 -1.92820412e-23]
 [ 5.14187766e-23 -2.08888780e-23  4.82051030e-24]
 [ 1.15692247e-22  8.03418384e-24 -3.21367354e-23]
 [-6.42734707e-24 -1.28546941e-23  1.28546941e-23]
 [-6.42734707e-24  1.28546941e-23  8.03418384e-24]
 [ 1.28546941e-23 -6.42734707e-24 -4.33845927e-23]
 [ 6.42734707e-24  3.21367354e-23 -3.11638459e-24]
 [ 3.78839430e-57 -4.49914295e-23  1.47628128e-23]
 [ 6.42734707e-24  6.42734707e-24  6.42734707e-24]
 [-4.41880111e-23  1.28546941e-23 -6.42734707e-24]
 [-1.62692223e-23 -6.42734707e-24  1.92820412e-23]
 [-1.16495666e-23  3.21367354e-24  2.73162251e-23]]
stress =  [4.76494724e-10 4.76494724e-10 4.76494724e-10 1.43807592e-26
 1.62376715e-26 2.46218813e-44]
energy per atom =  -2.7526211800787608
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0